B91PWS -OEChem-04022115563D 73 75 0 1 0 0 0 0 0999 V2000 7.7361 -1.1715 -1.4874 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.3382 -1.0366 -2.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4245 -3.2154 1.4311 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 -1.4502 -2.2759 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7398 -0.2424 -1.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2286 -0.6950 0.0792 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5016 -2.6650 -1.1279 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 1.5725 0.3198 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5582 0.8571 0.5682 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6069 0.3879 -0.2561 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1513 -0.5201 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -0.7496 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 2.6877 -0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 1.5906 1.4455 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0084 0.8071 -0.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 2.1395 1.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 3.1266 -1.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 1.9524 -1.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 0.6450 2.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2382 2.7225 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 0.2462 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -0.1048 1.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 0.6749 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 -0.9646 1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 0.1142 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 -1.6776 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9464 0.5784 -0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5369 -1.0405 0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8085 -0.5902 -0.9090 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3702 -2.2099 0.4237 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7948 -1.7688 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 0.6570 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1498 0.0793 -1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 -0.5588 2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 -1.3229 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 -0.7111 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -1.7318 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7826 3.5747 -0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 2.3409 -1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0564 2.0518 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 3.0616 1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 2.3904 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3034 1.4348 2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 3.6842 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0517 3.8259 -2.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0254 2.3751 -1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 1.5645 -2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 1.2550 2.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 -0.0665 2.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5359 2.4137 -0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1394 3.0666 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5891 3.5959 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9946 -0.5659 0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 0.6235 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -0.7441 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5911 1.4857 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 -1.7113 2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1063 -0.3289 2.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -2.2669 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -2.3590 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8857 1.3450 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4245 1.0405 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9596 -0.6994 1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -1.4322 1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8412 -0.2518 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8792 -2.6469 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3309 -2.6233 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3340 -1.4992 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 -0.1600 0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3755 -0.2794 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9527 -3.9528 1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3892 -2.6296 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -3.4585 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 29 1 0 0 0 0 2 70 1 0 0 0 0 3 30 1 0 0 0 0 3 71 1 0 0 0 0 6 26 1 0 0 0 0 6 69 1 0 0 0 0 7 72 1 0 0 0 0 7 73 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 25 2 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 M END $$$$